3-nitro-4-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzoate

Systemtic Name: 3-nitro-4-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-benzoate Openeye Name: 3-nitro-4-(2-oxido-2-oxo-ethyl)sulfanyl-benzoate CAS Name: 3-nitro-4-[(2-oxido-2-oxoethyl)thio]benzoate IUPAC Name: 3-nitro-4-(2-oxido-2-oxoethyl)sulfanylbenzoate Traditional Name: 4-[(2-keto-2-oxido-ethyl)thio]-3-nitro-benzoate Formula: C9H5NO6S-2 MolecularWeight: 255.2041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)/p-2